BRT79A
-OEChem-04042106123D
66 70 0 1 0 0 0 0 0999 V2000
1.8611 3.2878 -2.9353 Br 0 0 0 0 0 0 0 0 0 0 0 0
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4.3978 0.3302 0.7625 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0641 -0.3208 1.8894 N 0 0 0 0 0 0 0 0 0 0 0 0
-8.4703 0.2166 0.4320 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1690 -3.1711 0.2275 N 0 0 0 0 0 0 0 0 0 0 0 0
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-0.2517 0.9791 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.9912 1.2179 0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0
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3.3507 0.9629 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9010 1.9895 -0.5828 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7531 -0.0946 1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1548 -3.1506 0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7227 0.3126 0.3238 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.3710 -0.8830 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3990 1.5259 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.3721 0.3481 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7068 -2.1471 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
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-7.1412 1.8345 0.1672 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2927 -1.6080 1.7689 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2281 -0.5140 2.8453 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1591 1.9150 -1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6276 -3.0526 -2.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8089 -3.8109 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.4438 0.5628 2.9324 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.1780 2.0881 2.3971 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4182 1.9400 2.5284 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.7077 1.1990 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7843 -0.3092 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9181 2.4694 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0067 -0.5957 -2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0
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-9.8619 -1.6100 -1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2163 -1.7878 -0.6681 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2514 2.4881 -0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4037 0.3620 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0
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38 66 1 0 0 0 0
M END
$$$$